N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide

C24H27N3O — CID 110302906

IUPACN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(CNC(=O)c2ccc(-n3cccc3)cc2)N2CCCC2)cc1
InChIInChI=1S/C24H27N3O/c1-19-6-8-20(9-7-19)23(27-16-4-5-17-27)18-25-24(28)21-10-12-22(13-11-21)26-14-2-3-15-26/h2-3,6-15,23H,4-5,16-18H2,1H3,(H,25,28)
InChIKeyZUUDVQHKMXAKJU-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.35
Rot. Bonds6

About N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110302906) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide
PubChem CID110302906
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(CNC(=O)c2ccc(-n3cccc3)cc2)N2CCCC2)cc1
InChIInChI=1S/C24H27N3O/c1-19-6-8-20(9-7-19)23(27-16-4-5-17-27)18-25-24(28)21-10-12-22(13-11-21)26-14-2-3-15-26/h2-3,6-15,23H,4-5,16-18H2,1H3,(H,25,28)
InChIKeyZUUDVQHKMXAKJU-UHFFFAOYSA-N
XLogP4.35
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 110301675
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110304128
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 43843308
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrol-1-ylbenzamide
CID 25340437
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide (CID 110302906) is N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide is Cc1ccc(C(CNC(=O)c2ccc(-n3cccc3)cc2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is ZUUDVQHKMXAKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-19-6-8-20(9-7-19)23(27-16-4-5-17-27)18-25-24(28)21-10-12-22(13-11-21)26-14-2-3-15-26/h2-3,6-15,23H,4-5,16-18H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 373.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110302906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).